Diogo A. R. S. Latino
TitleCited byYear
Design, synthesis and biological evaluation of novel isoniazid derivatives with potent antitubercular activity
F Martins, S Santos, C Ventura, R Elvas-Leitão, L Santos, S Vitorino, ...
European journal of medicinal chemistry 81, 119-138, 2014
672014
Assignment of EC numbers to enzymatic reactions with MOLMAP reaction descriptors and random forests
DARS Latino, J Aires-de-Sousa
Journal of chemical information and modeling 49 (7), 1839-1846, 2009
402009
Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps
DARS Latino, QY Zhang, J Aires-de-Sousa
Bioinformatics 24 (19), 2236-2244, 2008
402008
Genome‐scale classification of metabolic reactions: a chemoinformatics approach
DARS Latino, J Aires‐de‐Sousa
Angewandte Chemie International Edition 45 (13), 2066-2069, 2006
382006
Genome‐scale classification of metabolic reactions: a chemoinformatics approach
DARS Latino, J Aires‐de‐Sousa
Angewandte Chemie International Edition 45 (13), 2066-2069, 2006
382006
enviPath–The environmental contaminant biotransformation pathway resource
J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner
Nucleic acids research 44 (D1), D502-D508, 2015
372015
Comparison of multiple linear regressions and neural networks based QSAR models for the design of new antitubercular compounds
C Ventura, DARS Latino, F Martins
European journal of medicinal chemistry 70, 831-845, 2013
352013
Machine learning methods to predict density functional theory B3LYP energies of HOMO and LUMO orbitals
F Pereira, K Xiao, DARS Latino, C Wu, Q Zhang, J Aires-de-Sousa
Journal of chemical information and modeling 57 (1), 11-21, 2016
292016
A big data approach to the ultra-fast prediction of DFT-calculated bond energies
X Qu, DARS Latino, J Aires-de-Sousa
Journal of cheminformatics 5 (1), 34, 2013
292013
Expert system for predicting reaction conditions: the Michael reaction case
G Marcou, J Aires de Sousa, DARS Latino, A De Luca, D Horvath, ...
Journal of chemical information and modeling 55 (2), 239-250, 2015
242015
Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au (1 1 1) interface
DARS Latino, RPS Fartaria, FFM Freitas, J Aires-de-Sousa, ...
Journal of Electroanalytical Chemistry 624 (1-2), 109-120, 2008
212008
A chemoinformatics approach to the discovery of lead-like molecules from marine and microbial sources en route to antitumor and antibiotic drugs
F Pereira, D Latino, S Gaudêncio
Marine drugs 12 (2), 757-778, 2014
202014
Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation
DARS Latino, FFM Freitas, J Aires‐De‐Sousa, FMS Silva Fernandes
International Journal of Quantum Chemistry 107 (11), 2120-2132, 2007
162007
Estimation of mayr electrophilicity with a quantitative structure–property relationship approach using empirical and DFT descriptors
F Pereira, DARS Latino, J Aires-de-Sousa
The Journal of organic chemistry 76 (22), 9312-9319, 2011
152011
Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data
DARS Latino, J Wicker, M Gütlein, E Schmid, S Kramer, K Fenner
Environmental Science: Processes & Impacts 19 (3), 449-464, 2017
142017
Linking databases of chemical reactions to NMR data: An exploration of 1H NMR-based reaction classification
DARS Latino, J Aires-de-Sousa
Analytical Chemistry 79 (3), 854-862, 2007
122007
QSAR-assisted virtual screening of lead-like molecules from marine and microbial natural sources for antitumor and antibiotic drug discovery
F Pereira, D Latino, S Gaudêncio
Molecules 20 (3), 4848-4873, 2015
112015
Approach to potential energy surfaces by neural networks. A review of recent work
DARS Latino, RPS Fartaria, FFM Freitas, J Aires‐De‐Sousa, ...
International Journal of Quantum Chemistry 110 (2), 432-445, 2010
112010
A QSPR approach for the fast estimation of DFT/NBO partial atomic charges
Q Zhang, F Zheng, R Fartaria, DARS Latino, X Qu, T Campos, T Zhao, ...
Chemometrics and Intelligent Laboratory Systems 134, 158-163, 2014
82014
Evaluating the environmental parameters that determine aerobic biodegradation half-lives of pesticides in soil with a multivariable approach
Y Wang, A Lai, D Latino, K Fenner, DE Helbling
Chemosphere 209, 430-438, 2018
42018
The system can't perform the operation now. Try again later.
Articles 1–20